Insights into amentoflavone: a natural multifunctional biflavonoid

X Xiong, N Tang, X Lai, J Zhang, W Wen, X Li… - Frontiers in …, 2021 - frontiersin.org
Amentoflavone is an active phenolic compound isolated from Selaginella tamariscina over
40 years. Amentoflavone has been extensively recorded as a molecule which displays …

A comprehensive review of medicinal Toxicodendron (Anacardiaceae): Botany, traditional uses, phytochemistry and pharmacology

X Hu, M Wang, F Cai, L Liu, Z Cheng, J Zhao… - Journal of …, 2024 - Elsevier
Ethnopharmacological relevance Comprising of about 30 species, the genus Toxicodendron
(Anacardiaceae) are mainly distributed in East Asia and North America. Among them, 13 …

A Comparative Analysis of Radical Scavenging, Antifungal and Enzyme Inhibition Activity of 3′-8 ″-Biflavones and Their Monomeric Subunits

I Jurčević Šangut, B Šarkanj, E Karalija, D Šamec - Antioxidants, 2023 - mdpi.com
Biflavonoids are dimeric forms of flavonoids that have recently gained importance as an
effective new scaffold for drug discovery. In particular, 3′-8 ″-biflavones exhibit antiviral …

[HTML][HTML] Multi-ligand molecular docking, simulation, free energy calculations and wavelet analysis of the synergistic effects between natural compounds baicalein and …

H Li, A Komori, M Li, X Chen, AWH Yang, X Sun… - Journal of Molecular …, 2023 - Elsevier
Combination drugs have been used for several diseases for many years since they produce
better therapeutic effects. However, it is still a challenge to discover candidates to form a …

Identification of secondary metabolites from Crescentia cujete as promising antibacterial therapeutics targeting type 2A topoisomerases through molecular dynamics …

JO Aribisala, RA Abdulsalam, Y Dweba… - Computers in Biology …, 2022 - Elsevier
The potential of fluoroquinolones as remarkable antibacterial agents evolved from their
ability to generate 'poison'complexes between type IIA topoisomerases [topo2As (DNA …

Computational docking investigation of phytocompounds from bergamot essential oil against Serratia marcescens protease and FabI: Alternative pharmacological …

KB Lokhande, A Tiwari, S Gaikwad, S Kore… - … Biology and Chemistry, 2023 - Elsevier
The rapid development of multi-drug resistant (MDR) pathogens adds urgency to search for
novel and safe drugs having promising action on new and re-emerging infectious …

Molecular recognition of bio-active triterpenoids from Swertia chirayita towards hepatitis Delta antigen: a mechanism through docking, dynamics simulation, Gibbs …

M Moharana, SK Pattanayak, F Khan - Journal of Biomolecular …, 2023 - Taylor & Francis
Medicinal plants the underpinning of indigenous herbal serve, are the possible source of
key compounds for the development of new drugs. Hepatitis D, one of the most widespread …

Dual inhibition of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) by resveratrol derivatives in cancer therapy: in silico approach

S Doiphode, KB Lokhande, P Ghosh… - Journal of …, 2023 - Taylor & Francis
In a number of human cancers, both cycloxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX)
are up-regulated and co-expressed, promoting cancer cell proliferation and angiogenesis …

Binding and inhibitory effect of ravidasvir on 3CLpro of SARS-CoV‐2: a molecular docking, molecular dynamics and MM/PBSA approach

K Bera - Journal of Biomolecular Structure and Dynamics, 2022 - Taylor & Francis
Drug repurposing requires a limited resource, cost-effective and faster method to combat
severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Therefore, this in silico …

Polyphenolic Natural Products Active In Silico Against SARS-CoV-2 Spike Receptor Binding Domains and Non-structural Proteins - A Review

MT Quimque, KI Notarte, XA Adviento… - … Chemistry & High …, 2023 - benthamdirect.com
The ongoing Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) pandemic
has been proven to be more severe than the previous coronavirus outbreaks due to the …